CID 474855

1,13a-dihydro-3h,5h,13h-naphtho(2,3-f)thiazolo(4,3-c)(1,4)thiazepine-5,13-dione

Structural Information

Molecular Formula
C15H11NO2S2
SMILES
C1C2C(=O)SC3=CC4=CC=CC=C4C=C3C(=O)N2CS1
InChI
InChI=1S/C15H11NO2S2/c17-14-11-5-9-3-1-2-4-10(9)6-13(11)20-15(18)12-7-19-8-16(12)14/h1-6,12H,7-8H2
InChIKey
FNQVLJBMDOWNSO-UHFFFAOYSA-N
Compound name
5,9-dithia-3-azatetracyclo[8.8.0.03,7.012,17]octadeca-1(18),10,12,14,16-pentaene-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

301.02313 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.03041 167.7
[M+Na]+ 324.01235 176.0
[M-H]- 300.01585 173.3
[M+NH4]+ 319.05695 186.1
[M+K]+ 339.98629 174.0
[M+H-H2O]+ 284.02039 164.0
[M+HCOO]- 346.02133 175.4
[M+CH3COO]- 360.03698 178.1
[M+Na-2H]- 321.99780 168.9
[M]+ 301.02258 166.8
[M]- 301.02368 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.